data_16165 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16165 _Entry.Title ; 1H, 15N and 13C backbone resonance assignments of domain 2 (D2) of the non-structural 5A protein (NS5A) from the JFH1 Hepatitis C virus (HCV) strain. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-11 _Entry.Accession_date 2009-02-11 _Entry.Last_release_date 2009-03-20 _Entry.Original_release_date 2009-03-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Xavier Hanoulle . . . 16165 2 Aurelie Badillo . . . 16165 3 Jean-Michel Wieruszeski . . . 16165 4 Dries Verdegem . . . 16165 5 Isabelle Landrieu . . . 16165 6 Ralf Bartenschlager . . . 16165 7 Francois Penin . . . 16165 8 Guy Lippens . . . 16165 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Department of Molecular Virology, University of Heidelberg' . 16165 . . 'UMR5086 CNRS-Universite de Lyon, IBCP' . 16165 1 . 'UMR8576 CNRS-USTL' . 16165 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16165 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 277 16165 '15N chemical shifts' 80 16165 '1H chemical shifts' 80 16165 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-03-20 2009-02-11 original author . 16165 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . AB047639 'GENBANK Hepatitis C virus (isolate JFH-1) genomic RNA, complete genome.' 16165 . Q99IB8 'SWISS-PROT POLG_HCVJF' 16165 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16165 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19297321 _Citation.Full_citation . _Citation.Title 'Hepatitis C Virus NS5A protein is a substrate for the Peptidyl-Prolyl cis/trans Isomerase activity of Cyclophilins A and B.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xavier Hanoulle . . . 16165 1 2 Aurelie Badillo . . . 16165 1 3 Jean-Michel Wieruszeski . . . 16165 1 4 Dries Verdegem . . . 16165 1 5 Isabelle Landrieu . . . 16165 1 6 Ralf Bartenschlager . . . 16165 1 7 Francois Penin . . . 16165 1 8 Guy Lippens . . . 16165 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HCV 16165 1 NMR 16165 1 NS5A 16165 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16165 _Assembly.ID 1 _Assembly.Name 'HCV (JFH1) NS5A-D2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HCV (JFH1) NS5A-D2' 1 $HCV_(JFH1)_NS5A-D2 A . yes native no no . . . 16165 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HCV_(JFH1)_NS5A-D2 _Entity.Sf_category entity _Entity.Sf_framecode HCV_(JFH1)_NS5A-D2 _Entity.Entry_ID 16165 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HCV_(JFH1)_NS5A-D2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNTYDVDMVDANLLMEGGVA QTEPESRVPVLDFLEPMAEE ESDLEPSIPSECMLPRSGFP RALPAWARPDYNPPLVESWR RPDYQPPTVAGCALPLQHHH HHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 2 to 95 correspond to residues 248 to 341 of NS5A protein from HCV JFH1 strain.' _Entity.Polymer_author_seq_details ; The first Methionine residue is a cloning artifact. The last 8 residues represent a non-native affinity tag. This is the domain 2 of the HCV (JFH1, genotype 2a) NS5A protein. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Domain 2 of HCV NS5A protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes Swiss-Prot Q99IB8 . POLG_HCVJF . . . . . . . . . . . . . . 16165 1 2 yes Genbank AB047639 . "Hepatitis C virus (isolate JFH-1) genomic RNA, complete genome." . . . . . . . . . . . . . . 16165 1 3 yes euHCVdb AB047639 . "Complete HCV polyprotein (contains C, E1, E2, P7, NS2, NS3, NS4A, NS4B, NS5A, NS5B)." . . . . . . . . . . . . . . 16165 1 4 no DBJ BAB32872 . "polyprotein [Hepatitis C virus (isolate JFH-1)] [Hepatitis C virus JFH-1]" . . . . . 91.26 3033 100.00 100.00 3.75e-55 . . . . 16165 1 5 no DBJ BAD06942 . "hepatitis C virus nonstructural protein [Hepatitis C virus]" . . . . . 91.26 2004 100.00 100.00 1.16e-55 . . . . 16165 1 6 no DBJ BAF34893 . "HCV polyprotein [Hepatitis C virus full-length replicon pFGR-JFH1]" . . . . . 91.26 3033 100.00 100.00 3.75e-55 . . . . 16165 1 7 no GB ABX82715 . "polyprotein [Recombinant Hepatitis C virus S52/JFH1]" . . . . . 91.26 3035 100.00 100.00 3.31e-55 . . . . 16165 1 8 no GB ABY68009 . "polyprotein [synthetic construct]" . . . . . 91.26 3029 100.00 100.00 3.47e-55 . . . . 16165 1 9 no GB ABY68010 . "polyprotein [synthetic construct]" . . . . . 91.26 3029 100.00 100.00 3.06e-55 . . . . 16165 1 10 no GB ABY68011 . "polyprotein [synthetic construct]" . . . . . 91.26 3029 100.00 100.00 2.76e-55 . . . . 16165 1 11 no GB ABY68012 . "polyprotein [Recombinant Hepatitis C virus H77C/JFH-1]" . . . . . 91.26 3029 100.00 100.00 3.58e-55 . . . . 16165 1 12 no SP Q99IB8 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 91.26 3033 100.00 100.00 3.75e-55 . . . . 16165 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'involved in HCV replication' 16165 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16165 1 2 . ASN . 16165 1 3 . THR . 16165 1 4 . TYR . 16165 1 5 . ASP . 16165 1 6 . VAL . 16165 1 7 . ASP . 16165 1 8 . MET . 16165 1 9 . VAL . 16165 1 10 . ASP . 16165 1 11 . ALA . 16165 1 12 . ASN . 16165 1 13 . LEU . 16165 1 14 . LEU . 16165 1 15 . MET . 16165 1 16 . GLU . 16165 1 17 . GLY . 16165 1 18 . GLY . 16165 1 19 . VAL . 16165 1 20 . ALA . 16165 1 21 . GLN . 16165 1 22 . THR . 16165 1 23 . GLU . 16165 1 24 . PRO . 16165 1 25 . GLU . 16165 1 26 . SER . 16165 1 27 . ARG . 16165 1 28 . VAL . 16165 1 29 . PRO . 16165 1 30 . VAL . 16165 1 31 . LEU . 16165 1 32 . ASP . 16165 1 33 . PHE . 16165 1 34 . LEU . 16165 1 35 . GLU . 16165 1 36 . PRO . 16165 1 37 . MET . 16165 1 38 . ALA . 16165 1 39 . GLU . 16165 1 40 . GLU . 16165 1 41 . GLU . 16165 1 42 . SER . 16165 1 43 . ASP . 16165 1 44 . LEU . 16165 1 45 . GLU . 16165 1 46 . PRO . 16165 1 47 . SER . 16165 1 48 . ILE . 16165 1 49 . PRO . 16165 1 50 . SER . 16165 1 51 . GLU . 16165 1 52 . CYS . 16165 1 53 . MET . 16165 1 54 . LEU . 16165 1 55 . PRO . 16165 1 56 . ARG . 16165 1 57 . SER . 16165 1 58 . GLY . 16165 1 59 . PHE . 16165 1 60 . PRO . 16165 1 61 . ARG . 16165 1 62 . ALA . 16165 1 63 . LEU . 16165 1 64 . PRO . 16165 1 65 . ALA . 16165 1 66 . TRP . 16165 1 67 . ALA . 16165 1 68 . ARG . 16165 1 69 . PRO . 16165 1 70 . ASP . 16165 1 71 . TYR . 16165 1 72 . ASN . 16165 1 73 . PRO . 16165 1 74 . PRO . 16165 1 75 . LEU . 16165 1 76 . VAL . 16165 1 77 . GLU . 16165 1 78 . SER . 16165 1 79 . TRP . 16165 1 80 . ARG . 16165 1 81 . ARG . 16165 1 82 . PRO . 16165 1 83 . ASP . 16165 1 84 . TYR . 16165 1 85 . GLN . 16165 1 86 . PRO . 16165 1 87 . PRO . 16165 1 88 . THR . 16165 1 89 . VAL . 16165 1 90 . ALA . 16165 1 91 . GLY . 16165 1 92 . CYS . 16165 1 93 . ALA . 16165 1 94 . LEU . 16165 1 95 . PRO . 16165 1 96 . LEU . 16165 1 97 . GLN . 16165 1 98 . HIS . 16165 1 99 . HIS . 16165 1 100 . HIS . 16165 1 101 . HIS . 16165 1 102 . HIS . 16165 1 103 . HIS . 16165 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16165 1 . ASN 2 2 16165 1 . THR 3 3 16165 1 . TYR 4 4 16165 1 . ASP 5 5 16165 1 . VAL 6 6 16165 1 . ASP 7 7 16165 1 . MET 8 8 16165 1 . VAL 9 9 16165 1 . ASP 10 10 16165 1 . ALA 11 11 16165 1 . ASN 12 12 16165 1 . LEU 13 13 16165 1 . LEU 14 14 16165 1 . MET 15 15 16165 1 . GLU 16 16 16165 1 . GLY 17 17 16165 1 . GLY 18 18 16165 1 . VAL 19 19 16165 1 . ALA 20 20 16165 1 . GLN 21 21 16165 1 . THR 22 22 16165 1 . GLU 23 23 16165 1 . PRO 24 24 16165 1 . GLU 25 25 16165 1 . SER 26 26 16165 1 . ARG 27 27 16165 1 . VAL 28 28 16165 1 . PRO 29 29 16165 1 . VAL 30 30 16165 1 . LEU 31 31 16165 1 . ASP 32 32 16165 1 . PHE 33 33 16165 1 . LEU 34 34 16165 1 . GLU 35 35 16165 1 . PRO 36 36 16165 1 . MET 37 37 16165 1 . ALA 38 38 16165 1 . GLU 39 39 16165 1 . GLU 40 40 16165 1 . GLU 41 41 16165 1 . SER 42 42 16165 1 . ASP 43 43 16165 1 . LEU 44 44 16165 1 . GLU 45 45 16165 1 . PRO 46 46 16165 1 . SER 47 47 16165 1 . ILE 48 48 16165 1 . PRO 49 49 16165 1 . SER 50 50 16165 1 . GLU 51 51 16165 1 . CYS 52 52 16165 1 . MET 53 53 16165 1 . LEU 54 54 16165 1 . PRO 55 55 16165 1 . ARG 56 56 16165 1 . SER 57 57 16165 1 . GLY 58 58 16165 1 . PHE 59 59 16165 1 . PRO 60 60 16165 1 . ARG 61 61 16165 1 . ALA 62 62 16165 1 . LEU 63 63 16165 1 . PRO 64 64 16165 1 . ALA 65 65 16165 1 . TRP 66 66 16165 1 . ALA 67 67 16165 1 . ARG 68 68 16165 1 . PRO 69 69 16165 1 . ASP 70 70 16165 1 . TYR 71 71 16165 1 . ASN 72 72 16165 1 . PRO 73 73 16165 1 . PRO 74 74 16165 1 . LEU 75 75 16165 1 . VAL 76 76 16165 1 . GLU 77 77 16165 1 . SER 78 78 16165 1 . TRP 79 79 16165 1 . ARG 80 80 16165 1 . ARG 81 81 16165 1 . PRO 82 82 16165 1 . ASP 83 83 16165 1 . TYR 84 84 16165 1 . GLN 85 85 16165 1 . PRO 86 86 16165 1 . PRO 87 87 16165 1 . THR 88 88 16165 1 . VAL 89 89 16165 1 . ALA 90 90 16165 1 . GLY 91 91 16165 1 . CYS 92 92 16165 1 . ALA 93 93 16165 1 . LEU 94 94 16165 1 . PRO 95 95 16165 1 . LEU 96 96 16165 1 . GLN 97 97 16165 1 . HIS 98 98 16165 1 . HIS 99 99 16165 1 . HIS 100 100 16165 1 . HIS 101 101 16165 1 . HIS 102 102 16165 1 . HIS 103 103 16165 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16165 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HCV_(JFH1)_NS5A-D2 . 11103 virus . 'Hepatitis C Virus' 'Hepatitis C Virus' . . . . Hepacivirus 'Hepatitis C Virus' 'JFH1 isolate' 'genotype 2a' . . . . . . . . . . . . . . . . . . . 16165 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16165 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HCV_(JFH1)_NS5A-D2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)Star . . . . . . . . . . . . . . . pT7.7 . . . . . . 16165 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16165 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV (JFH1) NS5A-D2' '[U-95% 13C; U-98% 15N]' . . 1 $HCV_(JFH1)_NS5A-D2 . . 350 . . uM . . . . 16165 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16165 1 3 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 16165 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16165 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16165 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16165 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16165 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16165 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 30 . mM 16165 1 pH 6.4 . pH 16165 1 pressure 1.0 . atm 16165 1 temperature 298 . K 16165 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16165 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16165 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16165 1 processing 16165 1 stop_ save_ save_In_house_product_plane_algorithm _Software.Sf_category software _Software.Sf_framecode In_house_product_plane_algorithm _Software.Entry_ID 16165 _Software.ID 2 _Software.Name In_house_product_plane_algorithm _Software.Version . _Software.Details 'Published in 2008 (Verdegem et al. (2008) J. Biomol NMR 42:11-21) and made publicly available in the present CCPN release.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dries Verdegem & Guy Lippens' . . 16165 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16165 2 'data analysis' 16165 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16165 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryogenic triple resonance probe head' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16165 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'cryogenic triple resonance probe head' . . 16165 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16165 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16165 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16165 1 3 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16165 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16165 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16165 1 6 '3D HNCANNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16165 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16165 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Referenced using TMSP' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 16165 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16165 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16165 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16165 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.0068 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2396 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1427 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details '13C chemical shift error for CO assignments is 0.1165' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16165 1 2 '3D HNCO' . . . 16165 1 4 '3D HNCACB' . . . 16165 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $In_house_product_plane_algorithm . . 16165 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN C C 13 175.157 0.117 . 1 . . . . 2 ASN C . 16165 1 2 . 1 1 2 2 ASN CA C 13 53.226 0.239 . 1 . . . . 2 ASN CA . 16165 1 3 . 1 1 2 2 ASN CB C 13 39.050 0.239 . 1 . . . . 2 ASN CB . 16165 1 4 . 1 1 3 3 THR H H 1 8.201 0.007 . 1 . . . . 3 THR H . 16165 1 5 . 1 1 3 3 THR C C 13 174.119 0.117 . 1 . . . . 3 THR C . 16165 1 6 . 1 1 3 3 THR CA C 13 62.160 0.239 . 1 . . . . 3 THR CA . 16165 1 7 . 1 1 3 3 THR CB C 13 69.646 0.239 . 1 . . . . 3 THR CB . 16165 1 8 . 1 1 3 3 THR N N 15 114.545 0.143 . 1 . . . . 3 THR N . 16165 1 9 . 1 1 4 4 TYR H H 1 8.105 0.007 . 1 . . . . 4 TYR H . 16165 1 10 . 1 1 4 4 TYR C C 13 175.373 0.117 . 1 . . . . 4 TYR C . 16165 1 11 . 1 1 4 4 TYR CA C 13 57.736 0.239 . 1 . . . . 4 TYR CA . 16165 1 12 . 1 1 4 4 TYR CB C 13 38.750 0.239 . 1 . . . . 4 TYR CB . 16165 1 13 . 1 1 4 4 TYR N N 15 121.167 0.143 . 1 . . . . 4 TYR N . 16165 1 14 . 1 1 5 5 ASP H H 1 8.212 0.007 . 1 . . . . 5 ASP H . 16165 1 15 . 1 1 5 5 ASP C C 13 176.281 0.117 . 1 . . . . 5 ASP C . 16165 1 16 . 1 1 5 5 ASP CA C 13 54.452 0.239 . 1 . . . . 5 ASP CA . 16165 1 17 . 1 1 5 5 ASP CB C 13 41.328 0.239 . 1 . . . . 5 ASP CB . 16165 1 18 . 1 1 5 5 ASP N N 15 122.073 0.143 . 1 . . . . 5 ASP N . 16165 1 19 . 1 1 6 6 VAL H H 1 7.982 0.007 . 1 . . . . 6 VAL H . 16165 1 20 . 1 1 6 6 VAL C C 13 175.889 0.117 . 1 . . . . 6 VAL C . 16165 1 21 . 1 1 6 6 VAL CA C 13 62.610 0.239 . 1 . . . . 6 VAL CA . 16165 1 22 . 1 1 6 6 VAL CB C 13 32.845 0.239 . 1 . . . . 6 VAL CB . 16165 1 23 . 1 1 6 6 VAL N N 15 119.347 0.143 . 1 . . . . 6 VAL N . 16165 1 24 . 1 1 7 7 ASP H H 1 8.352 0.007 . 1 . . . . 7 ASP H . 16165 1 25 . 1 1 7 7 ASP C C 13 176.294 0.117 . 1 . . . . 7 ASP C . 16165 1 26 . 1 1 7 7 ASP CA C 13 54.758 0.239 . 1 . . . . 7 ASP CA . 16165 1 27 . 1 1 7 7 ASP CB C 13 41.129 0.239 . 1 . . . . 7 ASP CB . 16165 1 28 . 1 1 7 7 ASP N N 15 122.488 0.143 . 1 . . . . 7 ASP N . 16165 1 29 . 1 1 8 8 MET H H 1 8.134 0.007 . 1 . . . . 8 MET H . 16165 1 30 . 1 1 8 8 MET C C 13 176.225 0.117 . 1 . . . . 8 MET C . 16165 1 31 . 1 1 8 8 MET CA C 13 55.600 0.239 . 1 . . . . 8 MET CA . 16165 1 32 . 1 1 8 8 MET CB C 13 32.857 0.239 . 1 . . . . 8 MET CB . 16165 1 33 . 1 1 8 8 MET N N 15 120.626 0.143 . 1 . . . . 8 MET N . 16165 1 34 . 1 1 9 9 VAL H H 1 8.077 0.007 . 1 . . . . 9 VAL H . 16165 1 35 . 1 1 9 9 VAL C C 13 175.952 0.117 . 1 . . . . 9 VAL C . 16165 1 36 . 1 1 9 9 VAL CA C 13 62.835 0.239 . 1 . . . . 9 VAL CA . 16165 1 37 . 1 1 9 9 VAL CB C 13 32.763 0.239 . 1 . . . . 9 VAL CB . 16165 1 38 . 1 1 9 9 VAL N N 15 121.473 0.143 . 1 . . . . 9 VAL N . 16165 1 39 . 1 1 10 10 ASP H H 1 8.357 0.007 . 1 . . . . 10 ASP H . 16165 1 40 . 1 1 10 10 ASP C C 13 176.502 0.117 . 1 . . . . 10 ASP C . 16165 1 41 . 1 1 10 10 ASP CA C 13 54.477 0.239 . 1 . . . . 10 ASP CA . 16165 1 42 . 1 1 10 10 ASP CB C 13 41.167 0.239 . 1 . . . . 10 ASP CB . 16165 1 43 . 1 1 10 10 ASP N N 15 123.863 0.143 . 1 . . . . 10 ASP N . 16165 1 44 . 1 1 11 11 ALA H H 1 8.330 0.007 . 1 . . . . 11 ALA H . 16165 1 45 . 1 1 11 11 ALA C C 13 178.281 0.117 . 1 . . . . 11 ALA C . 16165 1 46 . 1 1 11 11 ALA CA C 13 53.600 0.239 . 1 . . . . 11 ALA CA . 16165 1 47 . 1 1 11 11 ALA CB C 13 19.014 0.239 . 1 . . . . 11 ALA CB . 16165 1 48 . 1 1 11 11 ALA N N 15 125.422 0.143 . 1 . . . . 11 ALA N . 16165 1 49 . 1 1 12 12 ASN H H 1 8.470 0.007 . 1 . . . . 12 ASN H . 16165 1 50 . 1 1 12 12 ASN C C 13 175.749 0.117 . 1 . . . . 12 ASN C . 16165 1 51 . 1 1 12 12 ASN CA C 13 54.083 0.239 . 1 . . . . 12 ASN CA . 16165 1 52 . 1 1 12 12 ASN CB C 13 38.559 0.239 . 1 . . . . 12 ASN CB . 16165 1 53 . 1 1 12 12 ASN N N 15 116.449 0.143 . 1 . . . . 12 ASN N . 16165 1 54 . 1 1 13 13 LEU H H 1 7.916 0.007 . 1 . . . . 13 LEU H . 16165 1 55 . 1 1 13 13 LEU C C 13 177.593 0.117 . 1 . . . . 13 LEU C . 16165 1 56 . 1 1 13 13 LEU CA C 13 55.794 0.239 . 1 . . . . 13 LEU CA . 16165 1 57 . 1 1 13 13 LEU CB C 13 42.134 0.239 . 1 . . . . 13 LEU CB . 16165 1 58 . 1 1 13 13 LEU N N 15 121.279 0.143 . 1 . . . . 13 LEU N . 16165 1 59 . 1 1 14 14 LEU H H 1 7.972 0.007 . 1 . . . . 14 LEU H . 16165 1 60 . 1 1 14 14 LEU C C 13 177.467 0.117 . 1 . . . . 14 LEU C . 16165 1 61 . 1 1 14 14 LEU CA C 13 55.472 0.239 . 1 . . . . 14 LEU CA . 16165 1 62 . 1 1 14 14 LEU CB C 13 42.119 0.239 . 1 . . . . 14 LEU CB . 16165 1 63 . 1 1 14 14 LEU N N 15 121.416 0.143 . 1 . . . . 14 LEU N . 16165 1 64 . 1 1 15 15 MET H H 1 8.135 0.007 . 1 . . . . 15 MET H . 16165 1 65 . 1 1 15 15 MET C C 13 176.424 0.117 . 1 . . . . 15 MET C . 16165 1 66 . 1 1 15 15 MET CA C 13 55.641 0.239 . 1 . . . . 15 MET CA . 16165 1 67 . 1 1 15 15 MET CB C 13 32.930 0.239 . 1 . . . . 15 MET CB . 16165 1 68 . 1 1 15 15 MET N N 15 120.396 0.143 . 1 . . . . 15 MET N . 16165 1 69 . 1 1 16 16 GLU H H 1 8.395 0.007 . 1 . . . . 16 GLU H . 16165 1 70 . 1 1 16 16 GLU C C 13 177.102 0.117 . 1 . . . . 16 GLU C . 16165 1 71 . 1 1 16 16 GLU CA C 13 57.008 0.239 . 1 . . . . 16 GLU CA . 16165 1 72 . 1 1 16 16 GLU CB C 13 30.184 0.239 . 1 . . . . 16 GLU CB . 16165 1 73 . 1 1 16 16 GLU N N 15 122.075 0.143 . 1 . . . . 16 GLU N . 16165 1 74 . 1 1 17 17 GLY H H 1 8.479 0.007 . 1 . . . . 17 GLY H . 16165 1 75 . 1 1 17 17 GLY C C 13 174.777 0.117 . 1 . . . . 17 GLY C . 16165 1 76 . 1 1 17 17 GLY CA C 13 45.513 0.239 . 1 . . . . 17 GLY CA . 16165 1 77 . 1 1 17 17 GLY N N 15 110.200 0.143 . 1 . . . . 17 GLY N . 16165 1 78 . 1 1 18 18 GLY H H 1 8.258 0.007 . 1 . . . . 18 GLY H . 16165 1 79 . 1 1 18 18 GLY C C 13 173.990 0.117 . 1 . . . . 18 GLY C . 16165 1 80 . 1 1 18 18 GLY CA C 13 45.267 0.239 . 1 . . . . 18 GLY CA . 16165 1 81 . 1 1 18 18 GLY N N 15 108.614 0.143 . 1 . . . . 18 GLY N . 16165 1 82 . 1 1 19 19 VAL H H 1 7.977 0.007 . 1 . . . . 19 VAL H . 16165 1 83 . 1 1 19 19 VAL C C 13 175.923 0.117 . 1 . . . . 19 VAL C . 16165 1 84 . 1 1 19 19 VAL CA C 13 62.069 0.239 . 1 . . . . 19 VAL CA . 16165 1 85 . 1 1 19 19 VAL CB C 13 32.996 0.239 . 1 . . . . 19 VAL CB . 16165 1 86 . 1 1 19 19 VAL N N 15 119.010 0.143 . 1 . . . . 19 VAL N . 16165 1 87 . 1 1 20 20 ALA H H 1 8.436 0.007 . 1 . . . . 20 ALA H . 16165 1 88 . 1 1 20 20 ALA C C 13 177.586 0.117 . 1 . . . . 20 ALA C . 16165 1 89 . 1 1 20 20 ALA CA C 13 52.540 0.239 . 1 . . . . 20 ALA CA . 16165 1 90 . 1 1 20 20 ALA CB C 13 19.201 0.239 . 1 . . . . 20 ALA CB . 16165 1 91 . 1 1 20 20 ALA N N 15 127.961 0.143 . 1 . . . . 20 ALA N . 16165 1 92 . 1 1 21 21 GLN H H 1 8.428 0.007 . 1 . . . . 21 GLN H . 16165 1 93 . 1 1 21 21 GLN C C 13 176.076 0.117 . 1 . . . . 21 GLN C . 16165 1 94 . 1 1 21 21 GLN CA C 13 55.769 0.239 . 1 . . . . 21 GLN CA . 16165 1 95 . 1 1 21 21 GLN CB C 13 29.578 0.239 . 1 . . . . 21 GLN CB . 16165 1 96 . 1 1 21 21 GLN N N 15 120.324 0.143 . 1 . . . . 21 GLN N . 16165 1 97 . 1 1 22 22 THR H H 1 8.208 0.007 . 1 . . . . 22 THR H . 16165 1 98 . 1 1 22 22 THR C C 13 174.341 0.117 . 1 . . . . 22 THR C . 16165 1 99 . 1 1 22 22 THR CA C 13 61.763 0.239 . 1 . . . . 22 THR CA . 16165 1 100 . 1 1 22 22 THR CB C 13 70.075 0.239 . 1 . . . . 22 THR CB . 16165 1 101 . 1 1 22 22 THR N N 15 115.733 0.143 . 1 . . . . 22 THR N . 16165 1 102 . 1 1 23 23 GLU H H 1 8.485 0.007 . 1 . . . . 23 GLU H . 16165 1 103 . 1 1 23 23 GLU C C 13 174.686 0.117 . 1 . . . . 23 GLU C . 16165 1 104 . 1 1 23 23 GLU CA C 13 54.573 0.239 . 1 . . . . 23 GLU CA . 16165 1 105 . 1 1 23 23 GLU CB C 13 29.662 0.239 . 1 . . . . 23 GLU CB . 16165 1 106 . 1 1 23 23 GLU N N 15 124.631 0.143 . 1 . . . . 23 GLU N . 16165 1 107 . 1 1 24 24 PRO C C 13 177.087 0.117 . 1 . . . . 24 PRO C . 16165 1 108 . 1 1 24 24 PRO CA C 13 63.416 0.239 . 1 . . . . 24 PRO CA . 16165 1 109 . 1 1 24 24 PRO CB C 13 32.124 0.239 . 1 . . . . 24 PRO CB . 16165 1 110 . 1 1 25 25 GLU H H 1 8.578 0.007 . 1 . . . . 25 GLU H . 16165 1 111 . 1 1 25 25 GLU C C 13 176.649 0.117 . 1 . . . . 25 GLU C . 16165 1 112 . 1 1 25 25 GLU CA C 13 56.961 0.239 . 1 . . . . 25 GLU CA . 16165 1 113 . 1 1 25 25 GLU CB C 13 30.183 0.239 . 1 . . . . 25 GLU CB . 16165 1 114 . 1 1 25 25 GLU N N 15 120.800 0.143 . 1 . . . . 25 GLU N . 16165 1 115 . 1 1 26 26 SER H H 1 8.332 0.007 . 1 . . . . 26 SER H . 16165 1 116 . 1 1 26 26 SER C C 13 174.401 0.117 . 1 . . . . 26 SER C . 16165 1 117 . 1 1 26 26 SER CA C 13 58.257 0.239 . 1 . . . . 26 SER CA . 16165 1 118 . 1 1 26 26 SER CB C 13 63.853 0.239 . 1 . . . . 26 SER CB . 16165 1 119 . 1 1 26 26 SER N N 15 116.879 0.143 . 1 . . . . 26 SER N . 16165 1 120 . 1 1 27 27 ARG H H 1 8.364 0.007 . 1 . . . . 27 ARG H . 16165 1 121 . 1 1 27 27 ARG C C 13 176.002 0.117 . 1 . . . . 27 ARG C . 16165 1 122 . 1 1 27 27 ARG CA C 13 55.884 0.239 . 1 . . . . 27 ARG CA . 16165 1 123 . 1 1 27 27 ARG CB C 13 30.897 0.239 . 1 . . . . 27 ARG CB . 16165 1 124 . 1 1 27 27 ARG N N 15 123.489 0.143 . 1 . . . . 27 ARG N . 16165 1 125 . 1 1 28 28 VAL H H 1 8.168 0.007 . 1 . . . . 28 VAL H . 16165 1 126 . 1 1 28 28 VAL C C 13 174.458 0.117 . 1 . . . . 28 VAL C . 16165 1 127 . 1 1 28 28 VAL CA C 13 60.092 0.239 . 1 . . . . 28 VAL CA . 16165 1 128 . 1 1 28 28 VAL CB C 13 32.422 0.239 . 1 . . . . 28 VAL CB . 16165 1 129 . 1 1 28 28 VAL N N 15 123.156 0.143 . 1 . . . . 28 VAL N . 16165 1 130 . 1 1 29 29 PRO C C 13 176.536 0.117 . 1 . . . . 29 PRO C . 16165 1 131 . 1 1 29 29 PRO CA C 13 63.233 0.239 . 1 . . . . 29 PRO CA . 16165 1 132 . 1 1 29 29 PRO CB C 13 32.138 0.239 . 1 . . . . 29 PRO CB . 16165 1 133 . 1 1 30 30 VAL H H 1 8.209 0.007 . 1 . . . . 30 VAL H . 16165 1 134 . 1 1 30 30 VAL C C 13 176.123 0.117 . 1 . . . . 30 VAL C . 16165 1 135 . 1 1 30 30 VAL CA C 13 62.392 0.239 . 1 . . . . 30 VAL CA . 16165 1 136 . 1 1 30 30 VAL CB C 13 32.748 0.239 . 1 . . . . 30 VAL CB . 16165 1 137 . 1 1 30 30 VAL N N 15 120.991 0.143 . 1 . . . . 30 VAL N . 16165 1 138 . 1 1 31 31 LEU H H 1 8.300 0.007 . 1 . . . . 31 LEU H . 16165 1 139 . 1 1 31 31 LEU C C 13 176.669 0.117 . 1 . . . . 31 LEU C . 16165 1 140 . 1 1 31 31 LEU CA C 13 54.934 0.239 . 1 . . . . 31 LEU CA . 16165 1 141 . 1 1 31 31 LEU CB C 13 42.469 0.239 . 1 . . . . 31 LEU CB . 16165 1 142 . 1 1 31 31 LEU N N 15 126.349 0.143 . 1 . . . . 31 LEU N . 16165 1 143 . 1 1 32 32 ASP H H 1 8.173 0.007 . 1 . . . . 32 ASP H . 16165 1 144 . 1 1 32 32 ASP C C 13 175.578 0.117 . 1 . . . . 32 ASP C . 16165 1 145 . 1 1 32 32 ASP CA C 13 54.296 0.239 . 1 . . . . 32 ASP CA . 16165 1 146 . 1 1 32 32 ASP CB C 13 41.336 0.239 . 1 . . . . 32 ASP CB . 16165 1 147 . 1 1 32 32 ASP N N 15 121.034 0.143 . 1 . . . . 32 ASP N . 16165 1 148 . 1 1 33 33 PHE H H 1 8.028 0.007 . 1 . . . . 33 PHE H . 16165 1 149 . 1 1 33 33 PHE C C 13 175.080 0.117 . 1 . . . . 33 PHE C . 16165 1 150 . 1 1 33 33 PHE CA C 13 57.631 0.239 . 1 . . . . 33 PHE CA . 16165 1 151 . 1 1 33 33 PHE CB C 13 39.607 0.239 . 1 . . . . 33 PHE CB . 16165 1 152 . 1 1 33 33 PHE N N 15 119.801 0.143 . 1 . . . . 33 PHE N . 16165 1 153 . 1 1 34 34 LEU H H 1 8.052 0.007 . 1 . . . . 34 LEU H . 16165 1 154 . 1 1 34 34 LEU C C 13 176.487 0.117 . 1 . . . . 34 LEU C . 16165 1 155 . 1 1 34 34 LEU CA C 13 54.699 0.239 . 1 . . . . 34 LEU CA . 16165 1 156 . 1 1 34 34 LEU CB C 13 42.731 0.239 . 1 . . . . 34 LEU CB . 16165 1 157 . 1 1 34 34 LEU N N 15 124.370 0.143 . 1 . . . . 34 LEU N . 16165 1 158 . 1 1 35 35 GLU H H 1 8.242 0.007 . 1 . . . . 35 GLU H . 16165 1 159 . 1 1 35 35 GLU C C 13 174.387 0.117 . 1 . . . . 35 GLU C . 16165 1 160 . 1 1 35 35 GLU CA C 13 54.373 0.239 . 1 . . . . 35 GLU CA . 16165 1 161 . 1 1 35 35 GLU CB C 13 29.755 0.239 . 1 . . . . 35 GLU CB . 16165 1 162 . 1 1 35 35 GLU N N 15 123.584 0.143 . 1 . . . . 35 GLU N . 16165 1 163 . 1 1 36 36 PRO C C 13 176.902 0.117 . 1 . . . . 36 PRO C . 16165 1 164 . 1 1 36 36 PRO CA C 13 63.133 0.239 . 1 . . . . 36 PRO CA . 16165 1 165 . 1 1 36 36 PRO CB C 13 32.115 0.239 . 1 . . . . 36 PRO CB . 16165 1 166 . 1 1 37 37 MET H H 1 8.459 0.007 . 1 . . . . 37 MET H . 16165 1 167 . 1 1 37 37 MET C C 13 175.940 0.117 . 1 . . . . 37 MET C . 16165 1 168 . 1 1 37 37 MET CA C 13 55.398 0.239 . 1 . . . . 37 MET CA . 16165 1 169 . 1 1 37 37 MET CB C 13 33.276 0.239 . 1 . . . . 37 MET CB . 16165 1 170 . 1 1 37 37 MET N N 15 121.076 0.143 . 1 . . . . 37 MET N . 16165 1 171 . 1 1 38 38 ALA H H 1 8.388 0.007 . 1 . . . . 38 ALA H . 16165 1 172 . 1 1 38 38 ALA C C 13 177.644 0.117 . 1 . . . . 38 ALA C . 16165 1 173 . 1 1 38 38 ALA CA C 13 52.478 0.239 . 1 . . . . 38 ALA CA . 16165 1 174 . 1 1 38 38 ALA CB C 13 19.411 0.239 . 1 . . . . 38 ALA CB . 16165 1 175 . 1 1 38 38 ALA N N 15 126.081 0.143 . 1 . . . . 38 ALA N . 16165 1 176 . 1 1 39 39 GLU H H 1 8.475 0.007 . 1 . . . . 39 GLU H . 16165 1 177 . 1 1 39 39 GLU C C 13 176.543 0.117 . 1 . . . . 39 GLU C . 16165 1 178 . 1 1 39 39 GLU CA C 13 56.609 0.239 . 1 . . . . 39 GLU CA . 16165 1 179 . 1 1 39 39 GLU CB C 13 30.480 0.239 . 1 . . . . 39 GLU CB . 16165 1 180 . 1 1 39 39 GLU N N 15 120.744 0.143 . 1 . . . . 39 GLU N . 16165 1 181 . 1 1 40 40 GLU H H 1 8.487 0.007 . 1 . . . . 40 GLU H . 16165 1 182 . 1 1 40 40 GLU C C 13 176.523 0.117 . 1 . . . . 40 GLU C . 16165 1 183 . 1 1 40 40 GLU CA C 13 56.486 0.239 . 1 . . . . 40 GLU CA . 16165 1 184 . 1 1 40 40 GLU CB C 13 30.583 0.239 . 1 . . . . 40 GLU CB . 16165 1 185 . 1 1 40 40 GLU N N 15 121.953 0.143 . 1 . . . . 40 GLU N . 16165 1 186 . 1 1 41 41 GLU H H 1 8.514 0.007 . 1 . . . . 41 GLU H . 16165 1 187 . 1 1 41 41 GLU C C 13 176.514 0.117 . 1 . . . . 41 GLU C . 16165 1 188 . 1 1 41 41 GLU CA C 13 56.717 0.239 . 1 . . . . 41 GLU CA . 16165 1 189 . 1 1 41 41 GLU CB C 13 30.351 0.239 . 1 . . . . 41 GLU CB . 16165 1 190 . 1 1 41 41 GLU N N 15 122.528 0.143 . 1 . . . . 41 GLU N . 16165 1 191 . 1 1 42 42 SER H H 1 8.379 0.007 . 1 . . . . 42 SER H . 16165 1 192 . 1 1 42 42 SER C C 13 174.237 0.117 . 1 . . . . 42 SER C . 16165 1 193 . 1 1 42 42 SER CA C 13 58.418 0.239 . 1 . . . . 42 SER CA . 16165 1 194 . 1 1 42 42 SER CB C 13 64.233 0.239 . 1 . . . . 42 SER CB . 16165 1 195 . 1 1 42 42 SER N N 15 116.978 0.143 . 1 . . . . 42 SER N . 16165 1 196 . 1 1 43 43 ASP H H 1 8.452 0.007 . 1 . . . . 43 ASP H . 16165 1 197 . 1 1 43 43 ASP C C 13 175.991 0.117 . 1 . . . . 43 ASP C . 16165 1 198 . 1 1 43 43 ASP CA C 13 54.368 0.239 . 1 . . . . 43 ASP CA . 16165 1 199 . 1 1 43 43 ASP CB C 13 41.014 0.239 . 1 . . . . 43 ASP CB . 16165 1 200 . 1 1 43 43 ASP N N 15 122.577 0.143 . 1 . . . . 43 ASP N . 16165 1 201 . 1 1 44 44 LEU H H 1 8.077 0.007 . 1 . . . . 44 LEU H . 16165 1 202 . 1 1 44 44 LEU C C 13 177.278 0.117 . 1 . . . . 44 LEU C . 16165 1 203 . 1 1 44 44 LEU CA C 13 55.166 0.239 . 1 . . . . 44 LEU CA . 16165 1 204 . 1 1 44 44 LEU CB C 13 42.671 0.239 . 1 . . . . 44 LEU CB . 16165 1 205 . 1 1 44 44 LEU N N 15 121.796 0.143 . 1 . . . . 44 LEU N . 16165 1 206 . 1 1 45 45 GLU H H 1 8.318 0.007 . 1 . . . . 45 GLU H . 16165 1 207 . 1 1 45 45 GLU C C 13 174.431 0.117 . 1 . . . . 45 GLU C . 16165 1 208 . 1 1 45 45 GLU CA C 13 54.329 0.239 . 1 . . . . 45 GLU CA . 16165 1 209 . 1 1 45 45 GLU CB C 13 29.783 0.239 . 1 . . . . 45 GLU CB . 16165 1 210 . 1 1 45 45 GLU N N 15 122.974 0.143 . 1 . . . . 45 GLU N . 16165 1 211 . 1 1 46 46 PRO C C 13 176.921 0.117 . 1 . . . . 46 PRO C . 16165 1 212 . 1 1 46 46 PRO CA C 13 63.237 0.239 . 1 . . . . 46 PRO CA . 16165 1 213 . 1 1 46 46 PRO CB C 13 32.183 0.239 . 1 . . . . 46 PRO CB . 16165 1 214 . 1 1 47 47 SER H H 1 8.437 0.007 . 1 . . . . 47 SER H . 16165 1 215 . 1 1 47 47 SER C C 13 174.219 0.117 . 1 . . . . 47 SER C . 16165 1 216 . 1 1 47 47 SER CA C 13 58.283 0.239 . 1 . . . . 47 SER CA . 16165 1 217 . 1 1 47 47 SER CB C 13 63.896 0.239 . 1 . . . . 47 SER CB . 16165 1 218 . 1 1 47 47 SER N N 15 116.433 0.143 . 1 . . . . 47 SER N . 16165 1 219 . 1 1 48 48 ILE H H 1 8.142 0.007 . 1 . . . . 48 ILE H . 16165 1 220 . 1 1 48 48 ILE C C 13 174.598 0.117 . 1 . . . . 48 ILE C . 16165 1 221 . 1 1 48 48 ILE CA C 13 58.671 0.239 . 1 . . . . 48 ILE CA . 16165 1 222 . 1 1 48 48 ILE CB C 13 38.789 0.239 . 1 . . . . 48 ILE CB . 16165 1 223 . 1 1 48 48 ILE N N 15 123.836 0.143 . 1 . . . . 48 ILE N . 16165 1 224 . 1 1 49 49 PRO C C 13 177.201 0.117 . 1 . . . . 49 PRO C . 16165 1 225 . 1 1 49 49 PRO CA C 13 63.533 0.239 . 1 . . . . 49 PRO CA . 16165 1 226 . 1 1 49 49 PRO CB C 13 32.169 0.239 . 1 . . . . 49 PRO CB . 16165 1 227 . 1 1 50 50 SER H H 1 8.388 0.007 . 1 . . . . 50 SER H . 16165 1 228 . 1 1 50 50 SER C C 13 175.214 0.117 . 1 . . . . 50 SER C . 16165 1 229 . 1 1 50 50 SER CA C 13 59.138 0.239 . 1 . . . . 50 SER CA . 16165 1 230 . 1 1 50 50 SER CB C 13 63.915 0.239 . 1 . . . . 50 SER CB . 16165 1 231 . 1 1 50 50 SER N N 15 116.255 0.143 . 1 . . . . 50 SER N . 16165 1 232 . 1 1 51 51 GLU H H 1 8.632 0.007 . 1 . . . . 51 GLU H . 16165 1 233 . 1 1 51 51 GLU C C 13 176.573 0.117 . 1 . . . . 51 GLU C . 16165 1 234 . 1 1 51 51 GLU CA C 13 57.283 0.239 . 1 . . . . 51 GLU CA . 16165 1 235 . 1 1 51 51 GLU CB C 13 29.871 0.239 . 1 . . . . 51 GLU CB . 16165 1 236 . 1 1 51 51 GLU N N 15 122.154 0.143 . 1 . . . . 51 GLU N . 16165 1 237 . 1 1 52 52 CYS H H 1 8.219 0.007 . 1 . . . . 52 CYS H . 16165 1 238 . 1 1 52 52 CYS C C 13 174.524 0.117 . 1 . . . . 52 CYS C . 16165 1 239 . 1 1 52 52 CYS CA C 13 59.035 0.239 . 1 . . . . 52 CYS CA . 16165 1 240 . 1 1 52 52 CYS CB C 13 27.900 0.239 . 1 . . . . 52 CYS CB . 16165 1 241 . 1 1 52 52 CYS N N 15 119.032 0.143 . 1 . . . . 52 CYS N . 16165 1 242 . 1 1 53 53 MET H H 1 8.284 0.007 . 1 . . . . 53 MET H . 16165 1 243 . 1 1 53 53 MET C C 13 175.802 0.117 . 1 . . . . 53 MET C . 16165 1 244 . 1 1 53 53 MET CA C 13 55.463 0.239 . 1 . . . . 53 MET CA . 16165 1 245 . 1 1 53 53 MET CB C 13 32.794 0.239 . 1 . . . . 53 MET CB . 16165 1 246 . 1 1 53 53 MET N N 15 122.312 0.143 . 1 . . . . 53 MET N . 16165 1 247 . 1 1 54 54 LEU H H 1 8.118 0.007 . 1 . . . . 54 LEU H . 16165 1 248 . 1 1 54 54 LEU C C 13 175.060 0.117 . 1 . . . . 54 LEU C . 16165 1 249 . 1 1 54 54 LEU CA C 13 53.259 0.239 . 1 . . . . 54 LEU CA . 16165 1 250 . 1 1 54 54 LEU CB C 13 41.776 0.239 . 1 . . . . 54 LEU CB . 16165 1 251 . 1 1 54 54 LEU N N 15 124.308 0.143 . 1 . . . . 54 LEU N . 16165 1 252 . 1 1 55 55 PRO C C 13 177.085 0.117 . 1 . . . . 55 PRO C . 16165 1 253 . 1 1 55 55 PRO CA C 13 63.261 0.239 . 1 . . . . 55 PRO CA . 16165 1 254 . 1 1 55 55 PRO CB C 13 31.587 0.239 . 1 . . . . 55 PRO CB . 16165 1 255 . 1 1 56 56 ARG H H 1 8.522 0.007 . 1 . . . . 56 ARG H . 16165 1 256 . 1 1 56 56 ARG C C 13 176.598 0.117 . 1 . . . . 56 ARG C . 16165 1 257 . 1 1 56 56 ARG CA C 13 56.292 0.239 . 1 . . . . 56 ARG CA . 16165 1 258 . 1 1 56 56 ARG CB C 13 30.719 0.239 . 1 . . . . 56 ARG CB . 16165 1 259 . 1 1 56 56 ARG N N 15 121.438 0.143 . 1 . . . . 56 ARG N . 16165 1 260 . 1 1 57 57 SER H H 1 8.345 0.007 . 1 . . . . 57 SER H . 16165 1 261 . 1 1 57 57 SER C C 13 174.901 0.117 . 1 . . . . 57 SER C . 16165 1 262 . 1 1 57 57 SER CA C 13 58.925 0.239 . 1 . . . . 57 SER CA . 16165 1 263 . 1 1 57 57 SER CB C 13 63.883 0.239 . 1 . . . . 57 SER CB . 16165 1 264 . 1 1 57 57 SER N N 15 116.319 0.143 . 1 . . . . 57 SER N . 16165 1 265 . 1 1 58 58 GLY H H 1 8.367 0.007 . 1 . . . . 58 GLY H . 16165 1 266 . 1 1 58 58 GLY C C 13 173.367 0.117 . 1 . . . . 58 GLY C . 16165 1 267 . 1 1 58 58 GLY CA C 13 45.106 0.239 . 1 . . . . 58 GLY CA . 16165 1 268 . 1 1 58 58 GLY N N 15 110.356 0.143 . 1 . . . . 58 GLY N . 16165 1 269 . 1 1 59 59 PHE H H 1 8.042 0.007 . 1 . . . . 59 PHE H . 16165 1 270 . 1 1 59 59 PHE C C 13 173.915 0.117 . 1 . . . . 59 PHE C . 16165 1 271 . 1 1 59 59 PHE CA C 13 55.845 0.239 . 1 . . . . 59 PHE CA . 16165 1 272 . 1 1 59 59 PHE CB C 13 39.130 0.239 . 1 . . . . 59 PHE CB . 16165 1 273 . 1 1 59 59 PHE N N 15 120.567 0.143 . 1 . . . . 59 PHE N . 16165 1 274 . 1 1 60 60 PRO C C 13 176.635 0.117 . 1 . . . . 60 PRO C . 16165 1 275 . 1 1 60 60 PRO CA C 13 63.319 0.239 . 1 . . . . 60 PRO CA . 16165 1 276 . 1 1 60 60 PRO CB C 13 31.969 0.239 . 1 . . . . 60 PRO CB . 16165 1 277 . 1 1 61 61 ARG H H 1 8.327 0.007 . 1 . . . . 61 ARG H . 16165 1 278 . 1 1 61 61 ARG C C 13 175.844 0.117 . 1 . . . . 61 ARG C . 16165 1 279 . 1 1 61 61 ARG CA C 13 56.077 0.239 . 1 . . . . 61 ARG CA . 16165 1 280 . 1 1 61 61 ARG CB C 13 30.995 0.239 . 1 . . . . 61 ARG CB . 16165 1 281 . 1 1 61 61 ARG N N 15 121.140 0.143 . 1 . . . . 61 ARG N . 16165 1 282 . 1 1 62 62 ALA H H 1 8.275 0.007 . 1 . . . . 62 ALA H . 16165 1 283 . 1 1 62 62 ALA C C 13 177.129 0.117 . 1 . . . . 62 ALA C . 16165 1 284 . 1 1 62 62 ALA CA C 13 52.059 0.239 . 1 . . . . 62 ALA CA . 16165 1 285 . 1 1 62 62 ALA CB C 13 19.340 0.239 . 1 . . . . 62 ALA CB . 16165 1 286 . 1 1 62 62 ALA N N 15 124.837 0.143 . 1 . . . . 62 ALA N . 16165 1 287 . 1 1 63 63 LEU H H 1 8.099 0.007 . 1 . . . . 63 LEU H . 16165 1 288 . 1 1 63 63 LEU C C 13 175.070 0.117 . 1 . . . . 63 LEU C . 16165 1 289 . 1 1 63 63 LEU CA C 13 52.830 0.239 . 1 . . . . 63 LEU CA . 16165 1 290 . 1 1 63 63 LEU CB C 13 42.056 0.239 . 1 . . . . 63 LEU CB . 16165 1 291 . 1 1 63 63 LEU N N 15 122.995 0.143 . 1 . . . . 63 LEU N . 16165 1 292 . 1 1 64 64 PRO C C 13 177.139 0.117 . 1 . . . . 64 PRO C . 16165 1 293 . 1 1 64 64 PRO CA C 13 62.609 0.239 . 1 . . . . 64 PRO CA . 16165 1 294 . 1 1 64 64 PRO CB C 13 31.776 0.239 . 1 . . . . 64 PRO CB . 16165 1 295 . 1 1 65 65 ALA H H 1 8.448 0.007 . 1 . . . . 65 ALA H . 16165 1 296 . 1 1 65 65 ALA C C 13 178.022 0.117 . 1 . . . . 65 ALA C . 16165 1 297 . 1 1 65 65 ALA CA C 13 54.098 0.239 . 1 . . . . 65 ALA CA . 16165 1 298 . 1 1 65 65 ALA CB C 13 18.658 0.239 . 1 . . . . 65 ALA CB . 16165 1 299 . 1 1 65 65 ALA N N 15 123.281 0.143 . 1 . . . . 65 ALA N . 16165 1 300 . 1 1 66 66 TRP H H 1 7.188 0.007 . 1 . . . . 66 TRP H . 16165 1 301 . 1 1 66 66 TRP C C 13 175.876 0.117 . 1 . . . . 66 TRP C . 16165 1 302 . 1 1 66 66 TRP CA C 13 56.359 0.239 . 1 . . . . 66 TRP CA . 16165 1 303 . 1 1 66 66 TRP CB C 13 28.664 0.239 . 1 . . . . 66 TRP CB . 16165 1 304 . 1 1 66 66 TRP N N 15 114.044 0.143 . 1 . . . . 66 TRP N . 16165 1 305 . 1 1 67 67 ALA H H 1 7.467 0.007 . 1 . . . . 67 ALA H . 16165 1 306 . 1 1 67 67 ALA C C 13 176.718 0.117 . 1 . . . . 67 ALA C . 16165 1 307 . 1 1 67 67 ALA CA C 13 51.929 0.239 . 1 . . . . 67 ALA CA . 16165 1 308 . 1 1 67 67 ALA CB C 13 19.363 0.239 . 1 . . . . 67 ALA CB . 16165 1 309 . 1 1 67 67 ALA N N 15 124.529 0.143 . 1 . . . . 67 ALA N . 16165 1 310 . 1 1 68 68 ARG H H 1 7.775 0.007 . 1 . . . . 68 ARG H . 16165 1 311 . 1 1 68 68 ARG C C 13 174.856 0.117 . 1 . . . . 68 ARG C . 16165 1 312 . 1 1 68 68 ARG CA C 13 54.212 0.239 . 1 . . . . 68 ARG CA . 16165 1 313 . 1 1 68 68 ARG CB C 13 30.513 0.239 . 1 . . . . 68 ARG CB . 16165 1 314 . 1 1 68 68 ARG N N 15 120.418 0.143 . 1 . . . . 68 ARG N . 16165 1 315 . 1 1 69 69 PRO C C 13 176.475 0.117 . 1 . . . . 69 PRO C . 16165 1 316 . 1 1 69 69 PRO CA C 13 63.802 0.239 . 1 . . . . 69 PRO CA . 16165 1 317 . 1 1 69 69 PRO CB C 13 31.897 0.239 . 1 . . . . 69 PRO CB . 16165 1 318 . 1 1 70 70 ASP H H 1 8.312 0.007 . 1 . . . . 70 ASP H . 16165 1 319 . 1 1 70 70 ASP C C 13 175.593 0.117 . 1 . . . . 70 ASP C . 16165 1 320 . 1 1 70 70 ASP CA C 13 53.958 0.239 . 1 . . . . 70 ASP CA . 16165 1 321 . 1 1 70 70 ASP CB C 13 40.529 0.239 . 1 . . . . 70 ASP CB . 16165 1 322 . 1 1 70 70 ASP N N 15 117.806 0.143 . 1 . . . . 70 ASP N . 16165 1 323 . 1 1 71 71 TYR H H 1 7.826 0.007 . 1 . . . . 71 TYR H . 16165 1 324 . 1 1 71 71 TYR C C 13 174.812 0.117 . 1 . . . . 71 TYR C . 16165 1 325 . 1 1 71 71 TYR CA C 13 58.091 0.239 . 1 . . . . 71 TYR CA . 16165 1 326 . 1 1 71 71 TYR CB C 13 39.059 0.239 . 1 . . . . 71 TYR CB . 16165 1 327 . 1 1 71 71 TYR N N 15 120.680 0.143 . 1 . . . . 71 TYR N . 16165 1 328 . 1 1 72 72 ASN H H 1 8.189 0.007 . 1 . . . . 72 ASN H . 16165 1 329 . 1 1 72 72 ASN CA C 13 50.796 0.239 . 1 . . . . 72 ASN CA . 16165 1 330 . 1 1 72 72 ASN CB C 13 39.537 0.239 . 1 . . . . 72 ASN CB . 16165 1 331 . 1 1 72 72 ASN N N 15 123.832 0.143 . 1 . . . . 72 ASN N . 16165 1 332 . 1 1 74 74 PRO C C 13 176.751 0.117 . 1 . . . . 74 PRO C . 16165 1 333 . 1 1 74 74 PRO CA C 13 62.929 0.239 . 1 . . . . 74 PRO CA . 16165 1 334 . 1 1 74 74 PRO CB C 13 31.934 0.239 . 1 . . . . 74 PRO CB . 16165 1 335 . 1 1 75 75 LEU H H 1 8.250 0.007 . 1 . . . . 75 LEU H . 16165 1 336 . 1 1 75 75 LEU C C 13 177.377 0.117 . 1 . . . . 75 LEU C . 16165 1 337 . 1 1 75 75 LEU CA C 13 55.413 0.239 . 1 . . . . 75 LEU CA . 16165 1 338 . 1 1 75 75 LEU CB C 13 42.295 0.239 . 1 . . . . 75 LEU CB . 16165 1 339 . 1 1 75 75 LEU N N 15 122.289 0.143 . 1 . . . . 75 LEU N . 16165 1 340 . 1 1 76 76 VAL H H 1 8.026 0.007 . 1 . . . . 76 VAL H . 16165 1 341 . 1 1 76 76 VAL C C 13 176.073 0.117 . 1 . . . . 76 VAL C . 16165 1 342 . 1 1 76 76 VAL CA C 13 62.330 0.239 . 1 . . . . 76 VAL CA . 16165 1 343 . 1 1 76 76 VAL CB C 13 32.859 0.239 . 1 . . . . 76 VAL CB . 16165 1 344 . 1 1 76 76 VAL N N 15 120.962 0.143 . 1 . . . . 76 VAL N . 16165 1 345 . 1 1 77 77 GLU H H 1 8.562 0.007 . 1 . . . . 77 GLU H . 16165 1 346 . 1 1 77 77 GLU C C 13 176.987 0.117 . 1 . . . . 77 GLU C . 16165 1 347 . 1 1 77 77 GLU CA C 13 56.753 0.239 . 1 . . . . 77 GLU CA . 16165 1 348 . 1 1 77 77 GLU CB C 13 29.776 0.239 . 1 . . . . 77 GLU CB . 16165 1 349 . 1 1 77 77 GLU N N 15 124.464 0.143 . 1 . . . . 77 GLU N . 16165 1 350 . 1 1 78 78 SER H H 1 8.325 0.007 . 1 . . . . 78 SER H . 16165 1 351 . 1 1 78 78 SER C C 13 174.403 0.117 . 1 . . . . 78 SER C . 16165 1 352 . 1 1 78 78 SER CA C 13 59.511 0.239 . 1 . . . . 78 SER CA . 16165 1 353 . 1 1 78 78 SER CB C 13 63.445 0.239 . 1 . . . . 78 SER CB . 16165 1 354 . 1 1 78 78 SER N N 15 116.895 0.143 . 1 . . . . 78 SER N . 16165 1 355 . 1 1 79 79 TRP H H 1 7.694 0.007 . 1 . . . . 79 TRP H . 16165 1 356 . 1 1 79 79 TRP C C 13 175.888 0.117 . 1 . . . . 79 TRP C . 16165 1 357 . 1 1 79 79 TRP CA C 13 57.105 0.239 . 1 . . . . 79 TRP CA . 16165 1 358 . 1 1 79 79 TRP CB C 13 28.948 0.239 . 1 . . . . 79 TRP CB . 16165 1 359 . 1 1 79 79 TRP N N 15 120.749 0.143 . 1 . . . . 79 TRP N . 16165 1 360 . 1 1 80 80 ARG H H 1 7.577 0.007 . 1 . . . . 80 ARG H . 16165 1 361 . 1 1 80 80 ARG C C 13 175.475 0.117 . 1 . . . . 80 ARG C . 16165 1 362 . 1 1 80 80 ARG CA C 13 55.765 0.239 . 1 . . . . 80 ARG CA . 16165 1 363 . 1 1 80 80 ARG CB C 13 30.753 0.239 . 1 . . . . 80 ARG CB . 16165 1 364 . 1 1 80 80 ARG N N 15 122.112 0.143 . 1 . . . . 80 ARG N . 16165 1 365 . 1 1 81 81 ARG H H 1 8.066 0.007 . 1 . . . . 81 ARG H . 16165 1 366 . 1 1 81 81 ARG C C 13 174.828 0.117 . 1 . . . . 81 ARG C . 16165 1 367 . 1 1 81 81 ARG CA C 13 54.222 0.239 . 1 . . . . 81 ARG CA . 16165 1 368 . 1 1 81 81 ARG CB C 13 30.351 0.239 . 1 . . . . 81 ARG CB . 16165 1 369 . 1 1 81 81 ARG N N 15 123.046 0.143 . 1 . . . . 81 ARG N . 16165 1 370 . 1 1 82 82 PRO C C 13 176.521 0.117 . 1 . . . . 82 PRO C . 16165 1 371 . 1 1 82 82 PRO CA C 13 63.759 0.239 . 1 . . . . 82 PRO CA . 16165 1 372 . 1 1 82 82 PRO CB C 13 31.923 0.239 . 1 . . . . 82 PRO CB . 16165 1 373 . 1 1 83 83 ASP H H 1 8.350 0.007 . 1 . . . . 83 ASP H . 16165 1 374 . 1 1 83 83 ASP C C 13 175.739 0.117 . 1 . . . . 83 ASP C . 16165 1 375 . 1 1 83 83 ASP CA C 13 54.044 0.239 . 1 . . . . 83 ASP CA . 16165 1 376 . 1 1 83 83 ASP CB C 13 40.595 0.239 . 1 . . . . 83 ASP CB . 16165 1 377 . 1 1 83 83 ASP N N 15 118.253 0.143 . 1 . . . . 83 ASP N . 16165 1 378 . 1 1 84 84 TYR H H 1 7.868 0.007 . 1 . . . . 84 TYR H . 16165 1 379 . 1 1 84 84 TYR C C 13 174.918 0.117 . 1 . . . . 84 TYR C . 16165 1 380 . 1 1 84 84 TYR CA C 13 58.302 0.239 . 1 . . . . 84 TYR CA . 16165 1 381 . 1 1 84 84 TYR CB C 13 39.027 0.239 . 1 . . . . 84 TYR CB . 16165 1 382 . 1 1 84 84 TYR N N 15 120.610 0.143 . 1 . . . . 84 TYR N . 16165 1 383 . 1 1 85 85 GLN H H 1 7.903 0.007 . 1 . . . . 85 GLN H . 16165 1 384 . 1 1 85 85 GLN C C 13 172.377 0.117 . 1 . . . . 85 GLN C . 16165 1 385 . 1 1 85 85 GLN CA C 13 52.549 0.239 . 1 . . . . 85 GLN CA . 16165 1 386 . 1 1 85 85 GLN CB C 13 29.721 0.239 . 1 . . . . 85 GLN CB . 16165 1 387 . 1 1 85 85 GLN N N 15 125.610 0.143 . 1 . . . . 85 GLN N . 16165 1 388 . 1 1 87 87 PRO C C 13 177.002 0.117 . 1 . . . . 87 PRO C . 16165 1 389 . 1 1 87 87 PRO CA C 13 63.124 0.239 . 1 . . . . 87 PRO CA . 16165 1 390 . 1 1 87 87 PRO CB C 13 32.040 0.239 . 1 . . . . 87 PRO CB . 16165 1 391 . 1 1 88 88 THR H H 1 8.181 0.007 . 1 . . . . 88 THR H . 16165 1 392 . 1 1 88 88 THR C C 13 174.609 0.117 . 1 . . . . 88 THR C . 16165 1 393 . 1 1 88 88 THR CA C 13 61.896 0.239 . 1 . . . . 88 THR CA . 16165 1 394 . 1 1 88 88 THR CB C 13 69.995 0.239 . 1 . . . . 88 THR CB . 16165 1 395 . 1 1 88 88 THR N N 15 114.438 0.143 . 1 . . . . 88 THR N . 16165 1 396 . 1 1 89 89 VAL H H 1 8.150 0.007 . 1 . . . . 89 VAL H . 16165 1 397 . 1 1 89 89 VAL C C 13 175.762 0.117 . 1 . . . . 89 VAL C . 16165 1 398 . 1 1 89 89 VAL CA C 13 62.146 0.239 . 1 . . . . 89 VAL CA . 16165 1 399 . 1 1 89 89 VAL CB C 13 32.983 0.239 . 1 . . . . 89 VAL CB . 16165 1 400 . 1 1 89 89 VAL N N 15 122.533 0.143 . 1 . . . . 89 VAL N . 16165 1 401 . 1 1 90 90 ALA H H 1 8.433 0.007 . 1 . . . . 90 ALA H . 16165 1 402 . 1 1 90 90 ALA C C 13 178.213 0.117 . 1 . . . . 90 ALA C . 16165 1 403 . 1 1 90 90 ALA CA C 13 52.779 0.239 . 1 . . . . 90 ALA CA . 16165 1 404 . 1 1 90 90 ALA CB C 13 19.181 0.239 . 1 . . . . 90 ALA CB . 16165 1 405 . 1 1 90 90 ALA N N 15 127.949 0.143 . 1 . . . . 90 ALA N . 16165 1 406 . 1 1 91 91 GLY H H 1 8.402 0.007 . 1 . . . . 91 GLY H . 16165 1 407 . 1 1 91 91 GLY C C 13 174.073 0.117 . 1 . . . . 91 GLY C . 16165 1 408 . 1 1 91 91 GLY CA C 13 45.379 0.239 . 1 . . . . 91 GLY CA . 16165 1 409 . 1 1 91 91 GLY N N 15 108.340 0.143 . 1 . . . . 91 GLY N . 16165 1 410 . 1 1 92 92 CYS H H 1 8.118 0.007 . 1 . . . . 92 CYS H . 16165 1 411 . 1 1 92 92 CYS C C 13 174.102 0.117 . 1 . . . . 92 CYS C . 16165 1 412 . 1 1 92 92 CYS CA C 13 58.318 0.239 . 1 . . . . 92 CYS CA . 16165 1 413 . 1 1 92 92 CYS CB C 13 28.355 0.239 . 1 . . . . 92 CYS CB . 16165 1 414 . 1 1 92 92 CYS N N 15 118.761 0.143 . 1 . . . . 92 CYS N . 16165 1 415 . 1 1 93 93 ALA H H 1 8.420 0.007 . 1 . . . . 93 ALA H . 16165 1 416 . 1 1 93 93 ALA C C 13 177.255 0.117 . 1 . . . . 93 ALA C . 16165 1 417 . 1 1 93 93 ALA CA C 13 52.373 0.239 . 1 . . . . 93 ALA CA . 16165 1 418 . 1 1 93 93 ALA CB C 13 19.249 0.239 . 1 . . . . 93 ALA CB . 16165 1 419 . 1 1 93 93 ALA N N 15 126.701 0.143 . 1 . . . . 93 ALA N . 16165 1 420 . 1 1 94 94 LEU H H 1 8.192 0.007 . 1 . . . . 94 LEU H . 16165 1 421 . 1 1 94 94 LEU C C 13 175.286 0.117 . 1 . . . . 94 LEU C . 16165 1 422 . 1 1 94 94 LEU CA C 13 53.241 0.239 . 1 . . . . 94 LEU CA . 16165 1 423 . 1 1 94 94 LEU CB C 13 41.761 0.239 . 1 . . . . 94 LEU CB . 16165 1 424 . 1 1 94 94 LEU N N 15 122.974 0.143 . 1 . . . . 94 LEU N . 16165 1 425 . 1 1 95 95 PRO C C 13 176.798 0.117 . 1 . . . . 95 PRO C . 16165 1 426 . 1 1 95 95 PRO CA C 13 63.093 0.239 . 1 . . . . 95 PRO CA . 16165 1 427 . 1 1 95 95 PRO CB C 13 31.910 0.239 . 1 . . . . 95 PRO CB . 16165 1 428 . 1 1 96 96 LEU H H 1 8.266 0.007 . 1 . . . . 96 LEU H . 16165 1 429 . 1 1 96 96 LEU C C 13 177.453 0.117 . 1 . . . . 96 LEU C . 16165 1 430 . 1 1 96 96 LEU CA C 13 55.430 0.239 . 1 . . . . 96 LEU CA . 16165 1 431 . 1 1 96 96 LEU CB C 13 42.267 0.239 . 1 . . . . 96 LEU CB . 16165 1 432 . 1 1 96 96 LEU N N 15 121.992 0.143 . 1 . . . . 96 LEU N . 16165 1 433 . 1 1 97 97 GLN H H 1 8.329 0.007 . 1 . . . . 97 GLN H . 16165 1 434 . 1 1 97 97 GLN C C 13 175.563 0.117 . 1 . . . . 97 GLN C . 16165 1 435 . 1 1 97 97 GLN CA C 13 55.758 0.239 . 1 . . . . 97 GLN CA . 16165 1 436 . 1 1 97 97 GLN CB C 13 29.461 0.239 . 1 . . . . 97 GLN CB . 16165 1 437 . 1 1 97 97 GLN N N 15 120.475 0.143 . 1 . . . . 97 GLN N . 16165 1 stop_ save_